[gmx-users] iron sulphur cluster

francesco oteri francesco.oteri at gmail.com
Thu Oct 6 14:24:11 CEST 2011

Dear gromacs users,

I've to simulate a protein with an 4Fe-4S and a 3Fe-4S iron sulphur cluster.

Lot of approaches are present in literature. There are a lot of papaers
suggesting partial charges
but very few suggestions regarding bonded and not bonded parameters.
So i am wondering if any member of this mailing list can send me a link, a
file or something advice can be useful to
obtain the topology of a protein with the iron sulphur clusters.
It is worth noting that I am not interested in electronic properties so also
advice using restraint are ok for me.

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